(2S)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide

C16H23N5O3S2 — CID 8706447

IUPAC(2S)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)[C@H](C)Sc2ncn[nH]2)ccc1C
InChIInChI=1S/C16H23N5O3S2/c1-5-21(6-2)26(23,24)14-9-13(8-7-11(14)3)19-15(22)12(4)25-16-17-10-18-20-16/h7-10,12H,5-6H2,1-4H3,(H,19,22)(H,17,18,20)/t12-/m0/s1
InChIKeyCMOWTNIEWTUUMA-LBPRGKRZSA-N
MW397.53 g/mol
LogP2.26
Rot. Bonds8

About (2S)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide

(2S)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide (PubChem CID 8706447) has the molecular formula C16H23N5O3S2 and a molecular weight of 397.53 g/mol. Its IUPAC name is (2S)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide.

Molecular Properties

Compound Name(2S)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide
PubChem CID8706447
Molecular FormulaC16H23N5O3S2
Molecular Weight397.53 g/mol
Exact Mass397.12
IUPAC Name(2S)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide
SMILESCCN(CC)S(=O)(=O)c1cc(NC(=O)[C@H](C)Sc2ncn[nH]2)ccc1C
InChIInChI=1S/C16H23N5O3S2/c1-5-21(6-2)26(23,24)14-9-13(8-7-11(14)3)19-15(22)12(4)25-16-17-10-18-20-16/h7-10,12H,5-6H2,1-4H3,(H,19,22)(H,17,18,20)/t12-/m0/s1
InChIKeyCMOWTNIEWTUUMA-LBPRGKRZSA-N
XLogP2.26
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.53
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2S)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-quinazolin-4-ylsulfanylpropanamide
CID 42968880
(2R)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(1-methyltetrazol-5-yl)sulfanylpropanamide
CID 25407940
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanamide
CID 46540580
(2S)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)propanamide
CID 41101694
ethyl 2-[1-[3-(diethylsulfamoyl)-4-methylanilino]-1-oxopropan-2-yl]sulfanylacetate
CID 42971989
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 42972205
(2R)-N-[4-(dimethylamino)phenyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide
CID 41036926
(2R)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-pyrrolidin-1-ium-1-ylpropanamide
CID 8901543
(2R)-N-phenyl-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide
CID 7785038
N-[3-(diethylsulfamoyl)-4-methylphenyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 29356996
(2S)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[[2-(methylamino)-2-oxoethyl]amino]propanamide
CID 8772028
(2R)-N-(4-cyanophenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide
CID 7785073

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide?
The IUPAC name of (2S)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide (CID 8706447) is (2S)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide.
What is the SMILES notation for (2S)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide?
The canonical SMILES for (2S)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide is CCN(CC)S(=O)(=O)c1cc(NC(=O)[C@H](C)Sc2ncn[nH]2)ccc1C.
What is the InChIKey of (2S)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide?
The InChIKey is CMOWTNIEWTUUMA-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H23N5O3S2/c1-5-21(6-2)26(23,24)14-9-13(8-7-11(14)3)19-15(22)12(4)25-16-17-10-18-20-16/h7-10,12H,5-6H2,1-4H3,(H,19,22)(H,17,18,20)/t12-/m0/s1.
What are the key properties of (2S)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide?
(2S)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide has a molecular weight of 397.53 g/mol, XLogP of 2.26, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)propanamide is sourced from PubChem (CID 8706447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).